6-Bromo-5-fluoropyridine-3-carboxylic acid - CAS 38186-87-7

Catalog:	BB023570
Product Name:	6-Bromo-5-fluoropyridine-3-carboxylic acid
CAS:	38186-87-7
Synonyms:	6-bromo-5-fluoropyridine-3-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	6-bromo-5-fluoropyridine-3-carboxylic acid
Description:	6-Bromo-5-fluoropyridine-3-carboxylic acid (CAS# 38186-87-7 ) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=C(C=NC(=C1F)Br)C(=O)O
InChI:	InChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2H,(H,10,11)
InChI Key:	YYLYQDSWERQSTR-UHFFFAOYSA-N
Boiling Point:	319.8 °C at 760 mmHg
Density:	1.903 g/cm³
MDL:	MFCD11036153
LogP:	1.68140

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.93312
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.93312
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5